Quantum Dynamics of a Harmonic Oscillator in a Deformed Bath

The dissipative quantum dynamics of a harmonic oscillator in the presence of a deformed bath is investigated. The deformed bath is modelled by a collection of deformed quantum harmonic oscillators as a generalization of Hopfield model. The transition probabilities between energy levels of the oscillator are obtained perturbatively and discussed.     

Characterization of mediastinal lymphadenopathy with diffusion-weighted imaging

Purpose

To predict malignancy of mediastinal lymphadenopathy with diffusion-weighted imaging.

Material and methods

A prospective study was conducted on 35 patients with mediastinal lymphadenopathy (28 malignant and seven benign nodes). They underwent echoplanar diffusion-weighted magnetic resonance imaging of the mediastinum with b-factors of 0, 300 and 600 s/mm². The apparent diffusion coefficient (ADC) values of the mediastinal lymph nodes were calculated. The ADC values were correlated with the biopsy results and statistical analysis was done. A value of P<.05 was considered significant.

Results

The mean ADC value of malignant mediastinal lymphadenopathy (1.06±0.3×10⁻³ mm²/s) was significantly lower (P=.001) than that of benign lymphadenopathy (2.39±0.7×10⁻³ mm²/s). There was an insignificant difference in the ADC values between metastatic and lymphomatous mediastinal lymph nodes (P=.32) as well as within benign nodes (P=.07). When an ADC value of 1.85×10⁻³ mm²/s was used as a threshold value for differentiating malignant mediastinal nodes from benign nodes, the best results were obtained with an accuracy of 83.9%, a sensitivity of 96.4%, a specificity of 71.4%, a negative predictive value of 95.2% and a positive predictive value of 77.1%. The area under the curve was 0.98.

Conclusion

Diffusion weighted magnetic resonance imaging is a promising noninvasive imaging modality that can be used for characterization of mediastinal lymphadenopathy and differentiation of malignant from benign mediastinal lymph nodes.     

Accurate estimation of Brillouin frequency shift in Brillouin optical time domain analysis sensors using cross correlation

Current methods of estimating the Brillouin frequency shift in Brillouin optical time domain analysis sensors are based on curve-fitting techniques. These techniques apply the same weight to all portions of the curve and dutifully fit into the peak and noisy ends of the curve. This makes them very sensitive to noise, initialization of fitting parameters, symmetry, and start and stop frequencies. We introduce a method based on the cross-correlation technique to estimate the central frequency of noisy Lorentzian curves, which is more robust to noise and free from initial settings of fitting parameters.     

GRID: A high‐resolution protein structure refinement algorithm

The energy‐based refinement of protein structures generated by fold prediction algorithms to atomic‐level accuracy remains a major challenge in structural biology. Energy‐based refinement is mainly dependent on two components: (1) sufficiently accurate force fields, and (2) efficient conformational space search algorithms. Focusing on the latter, we developed a high‐resolution refinement algorithm called GRID. It takes a three‐dimensional protein structure as input and, using an all‐atom force field, attempts to improve the energy of the structure by systematically perturbing backbone dihedrals and side‐chain rotamer conformations. We compare GRID to Backrub, a stochastic algorithm that has been shown to predict a significant fraction of the conformational changes that occur with point mutations. We applied GRID and Backrub to 10 high‐resolution (≤ 2.8 Å) crystal structures from the Protein Data Bank and measured the energy improvements obtained and the computation times required to achieve them. GRID resulted in energy improvements that were significantly better than those attained by Backrub while expending about the same amount of computational resources. GRID resulted in relaxed structures that had slightly higher backbone RMSDs compared to Backrub relative to the starting crystal structures. The average RMSD was 0.25 ± 0.02 Å for GRID versus 0.14 ± 0.04 Å for Backrub. These relatively minor deviations indicate that both algorithms generate structures that retain their original topologies, as expected given the nature of the algorithms. © 2012 Wiley Periodicals, Inc.     

Corrosion Inhibition of Mild Steel by Safflower (Carthamus tinctorius) Extract: Polarization,EIS, AFM,SEM, EDS,and Artificial Neural Network Modeling

Inhibitory action of safflower (Carthamus tinctorius) extract (SE) was investigated in hydrochloric acid solution through electrochemical (polarization, EIS), and surface analysis (optical microscopy/atomic force microscopy (AFM)/scanning electron microscopy (SEM)/energy dispersive spectroscopy (EDS)) techniques. In addition, Inhibition efficiency was predicted by neural network (NN) modeling in elevated temperatures and different acid concentrations. The thermodynamic adsorption parameters propose that this inhibitor retard both cathodic and anodic processes through physical adsorption and blocking the active corrosion sites. Surface analysis techniques confirm the inhibitor adsorption on the metal surface, which is in accordance with the variation of apparent activation energy of corrosion. Finally, inhibition efficiency is discussed in terms of protective film formation.     

Enhancement of Nanoclay Dispersion and Exfoliation in Epoxy Using Aminic Hardener Treated Clay

Exfoliation and dispersion of nanoclays in epoxy matrices plays an important role in achieving better physical and mechanical properties of resultant nanocomposites. In this article, modification of clay with an aminic hardener for the increment of dispersion and exfoliation into the epoxy matrix has been investigated. In the solvent media, a slurry of hydrophilic Na-Montmorrilonite was mixed and treated with isophoronediamine (IPDA). The nanocomposites containing epoxy and IPDA-modified clay were produced through a recently developed “slurry compounding” method. Dispersion and exfoliation of the modified clay and the microstructure of the resultant nanocomposite were studied by optical microscopy, X-ray diffraction (XRD), transmission electron microscopy (TEM), and Fourier-transform infrared (FTIR) spectroscopy. The samples were then compared with the high shear mixed and sonicated nanocomposites containing commonly used quaternary ammonium modified clays. The comparison showed that dispersion and exfoliation of hardener-modified organoclays in epoxy have been improved due to the treatment of clay and the compounding method.     

Comparative evaluation of amphotericin B binding to the native and modified forms of rice lipid-transfer protein: a possible perspective on improving the drug-binding affinity and specificity

Plant non-specific lipid-transfer proteins (nsLTPs) are small basic proteins which transport phospholipids between different cell membranes. They are classified, based on their molecular weight, into two subfamilies: nsLTP1 (9 kDa) and nsLTP2 (7 kDa). These proteins have received an increasing research interest as efficient drug carriers in drug delivery systems. However, there have been few studies conducted on their drug-binding characteristics. The present study aims to comparatively evaluate binding of amphotericin B (AmB, an antifungal drug) to the native and modified forms of rice nsLTP1 and to assess possible applications in drug delivery methods. The LTP1 was purified and then interaction of AmB with the native and modified forms of protein was investigated with various spectroscopic methods. The results showed that the AmB–LTP binding is associated with quenching of the protein intrinsic fluorescence. Furthermore, as temperature of the medium increased, the stability of the AmB–native LTP complex decreased, whereas the stability of the AmB–modified LTP increased. Analysis of the thermodynamic parameters of the AmB–protein complexes and extrinsic fluorescence data indicated that the lysine modification caused a change in the intermolecular interactions between the protein and AmB as well as in the protein surface hydrophobicity (PSH). Furthermore, Dixon plot showed that AmB inhibits ANS binding especially in the AmB–modified RLTP binding. Findings of the current study highlighted the drug-binding characteristics of the modified form of LTP necessitating further studies to profoundly evaluate the characteristics of its mutant forms.     

Gas Sensing Ability of a Nanostructured Conducting Polypyrrole Film Prepared by Catalytic Electropolymerization on Cu/Au Interdigital Electrodes

Nanostructured conductive polypyrrole has been prepared electrochemically on the surfaces of Cu/Au interdigital electrodes in the presence of Fe(II) as catalyst and ClO₄^? as anion dopant by using constant potential amperometry and cyclic voltammetry. The morphology of the conducting films was examined by field emission scanning electron microscopy, indicating a dependence from the processing technique. The synthesized polymer was used to investigate the properties of the gas sensing ability. The effect of the catalyst concentration on the oxidation mechanism of pyrrole was discussed. The PPy‐ClO₄ gas sensors had demonstrated fast response time and high sensitivity to VOCs.